[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Issue contents]  [Buy article online]

[Contents scheme]

Acta Cryst. (2005). E61, m1625-m1627  [ doi:10.1107/S1600536805023172 ]

cis-(Carbonato-[kappa]2O,O')(rac-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-[kappa]4N)chromium(III) bromide monohydrate

L. Dobrzanska

Online 27 July 2005

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.79 PLAT432_ALERT_2_C Short Inter X...Y Contact O3 .. C10 .. 3.01 Ang. PLAT731_ALERT_1_C Bond Calc 0.99(4), Rep 0.995(19) ...... 2.11 su-Rat O4 -H22 1.555 1.555 PLAT748_ALERT_1_C D-H..A Calc 173(4), Rep 173.00 ...... Missing su O4 -H22 -BR1 1.555 1.555 1.555
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C17 H38 Br1 Cr1 N4 O4 Atom count from _chemical_formula_moiety:C17 H38 Cr1 N4 O4
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Copyright © International Union of Crystallography
IUCr Webmaster